SCHEMBL1010820

SCHEMBL1010820

[NH]c1cc2ccccc2[nH]1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.54
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
LOXL2 Q9Y4K0 1/20 0.48
FLT3 P36888 1/20 0.48
CYP2A6 P11509 1/20 0.48
KDM4E B2RXH2 4/20 0.47
MAPT P10636 3/20 0.47
DAO P14920 2/20 0.47
HPGD P15428 2/20 0.47
SRD5A2 P31213 1/20 0.47
HSD17B10 Q99714 1/20 0.47
BRD4 O60885 1/20 0.47
DDO Q99489 1/20 0.47
CA2 P00918 1/20 0.45
ALDH1A1 P00352 4/20 0.44
CHEK1 O14757 1/20 0.44
KDR P35968 1/20 0.44
MEN1 O00255 1/20 0.44
CYP1A2 P05177 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6161663 0.76 KDR (0.59) AOC3NPC1RAB9AKDM4EMAPT
SCHEMBL29631691 0.74 RAB9A (0.74) AOC3NPC1RAB9ALOXL2FLT3
SCHEMBL374022 0.74 RAB9A (0.74) AOC3NPC1RAB9ALOXL2FLT3
SCHEMBL29657968 0.73 AOC3 (0.52) AOC3NPC1RAB9ALOXL2FLT3
SCHEMBL29377234 0.72 AOC3 (0.56) AOC3NPC1RAB9ALOXL2FLT3
Benzene SCHEMBL11500406 0.71 NPC1 (0.52) AOC3NPC1RAB9ALOXL2FLT3
SCHEMBL980499 0.70 AOC3 (0.54) AOC3NPC1RAB9ALOXL2FLT3
SCHEMBL665958 0.70 AOC3 (0.54) AOC3NPC1RAB9ALOXL2FLT3
SCHEMBL4417665 0.70 AOC3 (0.54) AOC3NPC1RAB9ALOXL2FLT3
SCHEMBL274332 0.70 FLT3 (0.59) AOC3NPC1RAB9ALOXL2FLT3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 122 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2035436-B1 FUSED THIAZOLE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA SA (BE) 2011-05-25 EP claimed
US-20090203745-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF INTEGRINS AND USE THEREOF JERINI AG (DE) 2009-08-13 US claimed
US-20090104116-A1 COMPOUNDS FOR THE INHIBITION OF INTEGRINS AND USE THEREOF JERINI AG (DE) 2009-04-23 US claimed
EP-2024357-A2 NEW HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF INTEGRINS AND USE THEREOF Jereni AG (DE) 2009-02-18 EP claimed
WO-2007131764-A2 NEW HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF INTEGRINS AND USE THEREOF JERINI AG (DE) 2007-11-22 WO claimed
US-6908926-B1 Substituted imidazoles, their preparation and use NOVO NORDISK A/S (DK) 2005-06-21 US claimed
EP-1054887-A1 BICYCLIC PYRIDINE AND PYRIMIDINE DERIVATIVES AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS Amgen Inc. (US) 2000-11-29 EP claimed
WO-1999040091-A1 BICYCLIC PYRIDINE AND PYRIMIDINE DERIVATIVES AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS AMGEN INC. (US) 1999-08-12 WO claimed
EP-0749419-A1 OXIME DERIVATIVES AND THEIR USE AS PESTICIDES BAYER AG (DE) 1996-12-27 EP claimed
WO-1995024383-A1 OXIME DERIVATIVES AND THEIR USE AS PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1995-09-14 WO claimed
EP-4371979-A1 FORMAMIDE DERIVATIVE AND AGRICULTURAL OR HORTICULTURAL PLANT DISEASE CONTROL AGENT Kumiai Chemical Industry Co., Ltd. (JP) 2024-05-22 EP disclosed
CN-117986281-A Boron-containing condensed ring aromatic compound and preparation method and application thereof 深圳大学 2024-05-07 CN disclosed
CN-117693500-A Carboxamide derivative and agricultural/horticultural plant disease control agent 组合化学工业株式会社 2024-03-12 CN disclosed
WO-2023286855-A1 FORMAMIDE DERIVATIVE AND AGRICULTURAL OR HORTICULTURAL PLANT DISEASE CONTROL AGENT クミアイ化学工業株式会社 2023-01-19 WO disclosed
CN-110818687-B Compound and organic electroluminescent device 北京鼎材科技有限公司 2022-05-03 CN disclosed
EP-1054887-A1 BICYCLIC PYRIDINE AND PYRIMIDINE DERIVATIVES AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS Amgen Inc. (US) 2000-11-29 EP disclosed
WO-1999040091-A1 BICYCLIC PYRIDINE AND PYRIMIDINE DERIVATIVES AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS AMGEN INC. (US) 1999-08-12 WO disclosed
EP-0749419-A1 OXIME DERIVATIVES AND THEIR USE AS PESTICIDES BAYER AG (DE) 1996-12-27 EP disclosed
WO-1995024383-A1 OXIME DERIVATIVES AND THEIR USE AS PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1995-09-14 WO disclosed
US-4153715-A Indolyl amino acids useful as antihypertensive agents MERCK & CO., INC. (US) 1979-05-08 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090203745-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF INTEGRINS AND USE THEREOF ITGB1, ITGA2, ITGB2 AOC3 1745/4885NPC1 4151/4885RAB9A 464/4885
US-20090104116-A1 COMPOUNDS FOR THE INHIBITION OF INTEGRINS AND USE THEREOF ITGA1, ITGB1, ITGA5 AOC3 2967/4885NPC1 4203/4885RAB9A 1417/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.